%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
5D 7F scf=nosym

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
C 2.281451 1.01684 -0.000944
N 1.244909 0.513066 -0.000717
H 3.248879 1.487138 -0.001063
Pd -0.689588 -0.427135 -0.000035
P -0.987467 -0.569128 2.313692
P -0.987619 -0.575317 -2.313246
H -2.077538 -1.101662 0.000655
H 0.03282 -0.076497 3.151655
H -2.107952 0.093403 2.847455
H -1.16703 -1.857732 2.848982
H 0.029135 -0.078372 -3.152951
H -1.159552 -1.8663 -2.845349
H -2.112462 0.079058 -2.847838

-H -C -N -O -P -B -S -Al -Cl -F -He -Si 0
6-31+g*
****
-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd
*******************

-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd


